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8AAG
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BU of 8aag by Molmil
H1-bound palindromic nucleosome, state 1
Descriptor: DNA/RNA (185-MER), Histone H1.0-B, Histone H2A type 1, ...
Authors:Alegrio Louro, J, Beinsteiner, B, Cheng, T.C, Patel, A.K.M, Boopathi, R, Angelov, D, Hamiche, A, Bednar, J, Kale, S, Dimitrov, S, Klaholz, B.
Deposit date:2022-07-01
Release date:2022-12-14
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Nucleosome dyad determines the H1 C-terminus collapse on distinct DNA arms.
Structure, 31, 2023
3P46
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BU of 3p46 by Molmil
Integrin binding collagen peptide
Descriptor: Synthetic collagen peptide
Authors:McEwan, P.A, Emsley, J.
Deposit date:2010-10-06
Release date:2011-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:End-stapled homo and hetero collagen triple helices: a click chemistry approach.
Chem.Commun.(Camb.), 47, 2011
6TQF
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BU of 6tqf by Molmil
The structure of ABC transporter Rv1819c in AMP-PNP bound state
Descriptor: ABC transporter ATP-binding protein/permease, DODECYL-BETA-D-MALTOSIDE, MAGNESIUM ION, ...
Authors:Rempel, S, Gati, C, Slotboom, D.J, Guskov, A.
Deposit date:2019-12-16
Release date:2020-04-01
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A mycobacterial ABC transporter mediates the uptake of hydrophilic compounds.
Nature, 580, 2020
5GO1
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BU of 5go1 by Molmil
Structural, Functional characterization and discovery of novel inhibitors of Leishmania amazonensis Nucleoside Diphosphatase Kinase (NDK)
Descriptor: Nucleoside diphosphate kinase
Authors:Mishra, A.K, Agnihotri, P, Singh, S.P, Pratap, J.V.
Deposit date:2016-07-26
Release date:2017-07-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of novel inhibitors for Leishmania nucleoside diphosphatase kinase (NDK) based on its structural and functional characterization.
J. Comput. Aided Mol. Des., 31, 2017
6YXX
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BU of 6yxx by Molmil
State A of the Trypanosoma brucei mitoribosomal large subunit assembly intermediate
Descriptor: 12S ribosomal RNA, 50S ribosomal protein L13, putative, ...
Authors:Jaskolowski, M, Ramrath, D.J.F, Bieri, P, Niemann, M, Mattei, S, Calderaro, S, Leibundgut, M.A, Horn, E.K, Boehringer, D, Schneider, A, Ban, N.
Deposit date:2020-05-04
Release date:2020-10-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis.
Mol.Cell, 79, 2020
6TQE
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BU of 6tqe by Molmil
The structure of ABC transporter Rv1819c without addition of substrate
Descriptor: ABC transporter ATP-binding protein/permease, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Rempel, S, Gati, C, Slotboom, D.J, Guskov, A.
Deposit date:2019-12-16
Release date:2020-04-01
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:A mycobacterial ABC transporter mediates the uptake of hydrophilic compounds.
Nature, 580, 2020
2DX3
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BU of 2dx3 by Molmil
NMR structure of DP5_conformation1: monomeric alpha-helix
Descriptor: DP5_conformation1
Authors:Tamura, A, Araki, M.
Deposit date:2006-08-23
Release date:2007-01-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Transformation of an alpha-helix peptide into a beta-hairpin induced by addition of a fragment results in creation of a coexisting state.
Proteins, 66, 2006
6THT
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BU of 6tht by Molmil
High resolution crystal structure of a Leaf-branch compost cutinase quintuple variant
Descriptor: CITRIC ACID, GLYCEROL, IMIDAZOLE, ...
Authors:Nomme, J.
Deposit date:2019-11-21
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:An engineered PET depolymerase to break down and recycle plastic bottles.
Nature, 580, 2020
6CBU
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BU of 6cbu by Molmil
Crystal structure of C4S3: A computationally designed immunogen to target Carbohydrate-Occluded Epitopes on the HIV envelope
Descriptor: Acylphosphatase-1, SULFATE ION
Authors:Zhu, C, Ke, H.M, Swanstrom, R, Dokholyan, N.V.
Deposit date:2018-02-05
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Rationally designed carbohydrate-occluded epitopes elicit HIV-1 Env-specific antibodies.
Nat Commun, 10, 2019
6NSO
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BU of 6nso by Molmil
An Unexpected Intermediate in the Reaction Catalyzed by Quinolinate Synthase
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, IRON/SULFUR CLUSTER, Quinolinate synthase A
Authors:Esakova, O.A, Grove, T.L, Silakov, A, Yennawar, N.H, Booker, S.J.
Deposit date:2019-01-25
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
3JUH
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BU of 3juh by Molmil
Crystal structure of a mutant of human protein kinase CK2alpha with altered cosubstrate specificity
Descriptor: CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ...
Authors:Niefind, K, Issinger, O.-G.
Deposit date:2009-09-15
Release date:2009-10-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Inclining the purine base binding plane in protein kinase CK2 by exchanging the flanking side-chains generates a preference for ATP as a cosubstrate
J.Mol.Biol., 347, 2005
7K12
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BU of 7k12 by Molmil
ACMSD in complex with diflunisal
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, CITRIC ACID, ...
Authors:Yang, Y, Liu, A.
Deposit date:2020-09-07
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
J.Med.Chem., 64, 2021
6NSU
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BU of 6nsu by Molmil
Crystallographic Capture of Quinolinate Synthase (NadA) from Pyrococcus horikoshii in its Substrates and Product-Bound States
Descriptor: DIDEHYDROASPARTATE, IRON/SULFUR CLUSTER, Quinolinate synthase A
Authors:Esakova, O.A, Grove, T.L, Silakov, A, Yennawar, N.H, Booker, S.J.
Deposit date:2019-01-25
Release date:2019-08-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
6WL7
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BU of 6wl7 by Molmil
Cryo-EM of Form 2 like peptide filament, 29-20-2
Descriptor: peptide 29-20-2
Authors:Wang, F, Gnewou, O.M, Modlin, C, Egelman, E.H, Conticello, V.P.
Deposit date:2020-04-18
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
6U0W
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BU of 6u0w by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS K133M at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G.
Deposit date:2019-08-15
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Toward the computational design of protein crystals with improved resolution.
Acta Crystallogr D Struct Biol, 75, 2019
7K13
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BU of 7k13 by Molmil
ACMSD in complex with diflunisal derivative 14
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, 2-hydroxy-5-(thiophen-3-yl)benzoic acid, ZINC ION
Authors:Yang, Y, Liu, A.
Deposit date:2020-09-07
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
J.Med.Chem., 64, 2021
8G3K
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BU of 8g3k by Molmil
Cryo-EM imaging scaffold subunits A and B used to display KRAS G12C complex with GDP
Descriptor: Cob_adeno_trans domain-containing protein, Cryo-EM imaging scaffold subunit B with DARPin - RCG-33
Authors:Castells-Graells, R, Sawaya, M.R, Yeates, T.O.
Deposit date:2023-02-08
Release date:2023-08-09
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023
6U0X
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BU of 6u0x by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS Q123D at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G.
Deposit date:2019-08-15
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Toward the computational design of protein crystals with improved resolution.
Acta Crystallogr D Struct Biol, 75, 2019
6THS
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BU of 6ths by Molmil
High resolution crystal structure of Leaf-branch cutinase S165A variant
Descriptor: 1,4-DIETHYLENE DIOXIDE, LCC
Authors:Nomme, J.
Deposit date:2019-11-21
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:An engineered PET depolymerase to break down and recycle plastic bottles.
Nature, 580, 2020
2E4E
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BU of 2e4e by Molmil
NMR structure of D4P/K7G mutant of GPM12
Descriptor: GPM12
Authors:Terada, T, Satoh, D, Mikawa, T, Ito, Y, Shimizu, K.
Deposit date:2006-12-06
Release date:2008-02-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Understanding the roles of amino acid residues in tertiary structure formation of chignolin by using molecular dynamics simulation
To be Published
2AT2
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BU of 2at2 by Molmil
MOLECULAR STRUCTURE OF BACILLUS SUBTILIS ASPARTATE TRANSCARBAMOYLASE AT 3.0 ANGSTROMS RESOLUTION
Descriptor: ASPARTATE CARBAMOYLTRANSFERASE
Authors:Stevens, R.C, Reinisch, K.M, Lipscomb, W.N.
Deposit date:1992-07-20
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular structure of Bacillus subtilis aspartate transcarbamoylase at 3.0 A resolution.
Proc.Natl.Acad.Sci.USA, 88, 1991
3PGF
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BU of 3pgf by Molmil
Crystal structure of maltose bound MBP with a conformationally specific synthetic antigen binder (sAB)
Descriptor: GLYCEROL, IMIDAZOLE, Maltose-binding periplasmic protein, ...
Authors:Kossiakoff, A.A, Duguid, E.M, Sandstrom, A.
Deposit date:2010-11-01
Release date:2011-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Allosteric control of ligand-binding affinity using engineered conformation-specific effector proteins.
Nat.Struct.Mol.Biol., 18, 2011
6NMI
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BU of 6nmi by Molmil
Cryo-EM structure of the human TFIIH core complex
Descriptor: CDK-activating kinase assembly factor MAT1, General transcription and DNA repair factor IIH helicase subunit XPB, General transcription and DNA repair factor IIH helicase subunit XPD, ...
Authors:Greber, B.J, Toso, D, Fang, J, Nogales, E.
Deposit date:2019-01-10
Release date:2019-03-13
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The complete structure of the human TFIIH core complex.
Elife, 8, 2019
2AG3
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BU of 2ag3 by Molmil
Heterocyclic Peptide Backbone Modification in Gcn4-pLI Based Coiled Coils: Substitution of the K(15)-L(16) amide with a triazole
Descriptor: GCN4-pLI
Authors:Horne, W.S, Ghadiri, M.R.
Deposit date:2005-07-26
Release date:2006-08-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Copper-Catalyzed Azide-Alkyne Cycloaddition as a Non-native Ligation Strategy toward Backbone-Modified Peptides
To be Published
6KH3
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BU of 6kh3 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
Descriptor: FE (III) ION, Ferritin, NICKEL (II) ION
Authors:Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G.
Deposit date:2019-07-12
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020

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數據於2024-07-17公開中

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